SCHEMBL5094987

SCHEMBL5094987

CCc1cnc(NCCNc2ccccn2)nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NTRK1 P04629 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
NTRK3 Q16288 1/20 0.40
ACKR3 P25106 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
ADORA1 P30542 4/20 0.40
FABP1 P07148 1/20 0.39
FABP6 P51161 1/20 0.39
LYN P07948 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5100537 0.86 FABP1 (0.44) GABRA5CYP2C19CYP1A2ALDH1A1PCSK9
SCHEMBL5089504 0.80 PRKCQ (0.41) GABRA5CYP1A2ALDH1A1GAAHPGD
SCHEMBL5099037 0.76 KDM4E (0.46) GABRA5CYP2C19CYP1A2ALDH1A1CASP1
SCHEMBL5100516 0.73 VCP (0.47) CYP2C19CYP1A2ALDH1A1FABP1FABP6
SCHEMBL19322388 0.71 ALDH1A1 (0.67) CYP2C19CYP1A2ALDH1A1GAAPCSK9
SCHEMBL5100245 0.71 ABL1 (0.58) TP53SRCSMN1; SMN2
SCHEMBL3265804 0.71 CYP1A2 (0.70) CYP2C19CYP1A2ALDH1A1TP53GAA
SCHEMBL7674772 0.70 DYRK1A (0.43) CYP2C19ACKR3FABP1FABP6
SCHEMBL327850 0.68 CYP2C19 (0.65) CYP2C19CYP1A2ALDH1A1TP53GAA
SCHEMBL31015708 0.68 CYP2C19 (0.65) CYP2C19CYP1A2ALDH1A1TP53GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GABRA5 3896/4885CYP2C19 2094/4885CYP1A2 2168/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GABRA5 3966/4885CYP2C19 1983/4885CYP1A2 2056/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB GABRA5 3966/4885CYP2C19 1983/4885CYP1A2 2056/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.